1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one

C23H31N3O — CID 109029267

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCNCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-20-7-5-11-22(19-20)25-15-17-26(18-16-25)23(27)12-14-24-13-6-10-21-8-3-2-4-9-21/h2-5,7-9,11,19,24H,6,10,12-18H2,1H3
InChIKeyDYOKMKWLDCWVBW-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.26
Rot. Bonds8

About 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one

1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one (PubChem CID 109029267) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one
PubChem CID109029267
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCNCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-20-7-5-11-22(19-20)25-15-17-26(18-16-25)23(27)12-14-24-13-6-10-21-8-3-2-4-9-21/h2-5,7-9,11,19,24H,6,10,12-18H2,1H3
InChIKeyDYOKMKWLDCWVBW-UHFFFAOYSA-N
XLogP3.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)methylamino]propan-1-one
CID 109019615
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
3-(1,3-benzodioxol-5-ylmethylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109022742
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one (CID 109029267) is 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one is Cc1cccc(N2CCN(C(=O)CCNCCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one?
The InChIKey is DYOKMKWLDCWVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-20-7-5-11-22(19-20)25-15-17-26(18-16-25)23(27)12-14-24-13-6-10-21-8-3-2-4-9-21/h2-5,7-9,11,19,24H,6,10,12-18H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one?
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one has a molecular weight of 365.52 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one is sourced from PubChem (CID 109029267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).